Structure of PDB 4atf Chain A Binding Site BS04

Receptor Information
>4atf Chain A (length=295) Species: 63186 (Zobellia galactanivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWKDIPVPADAGPNMKWEFQEISDNFEYEAPADNKGSEFLEKWDDFYHNA
WAGPGLTEWKRDRSYVADGELKMWATRKPGSDKINMGCITSKTRVVYPVY
IEARAKVMNSTLASDVWLLSADDTQEIDILDAYGADYSESAGKDHSYFSK
KVHISHHVFIRDPFQDYQPKDAGSWFEDGTVWNKEFHRFGVYWRDPWHLE
YYIDGVLVRTVSGKDIIDPKHFTNTTDPGNTEIDTRTGLNKEMDIIINTE
DQTWRSSPASGLQSNTYTPTDNELSNIENNTFGVDWIRIYKPVEK
Ligand information
Ligand IDAAL
InChIInChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
InChIKeyDCQFFOLNJVGHLW-DSOBHZJASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O
ACDLabs 11.02OC2OC1C(O)C(OC1)C2O
OpenEye OEToolkits 1.7.0C1C2C(C(O1)C(C(O2)O)O)O
CACTVS 3.352O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
CACTVS 3.352O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
FormulaC6 H10 O5
Name3,6-anhydro-alpha-L-galactopyranose;
3,6-ANHYDRO-L-GALACTOSE;
3,6-anhydro-alpha-L-galactose;
3,6-anhydro-galactose
ChEMBL
DrugBank
ZINCZINC000005851684
PDB chain4atf Chain E Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4atf Biochemical and Structural Characterization of the Complex Agarolytic Enzyme System from the Marine Bacterium Zobellia Galactanivorans.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D189 H211 H215 Q310
Binding residue
(residue number reindexed from 1)		D131 H153 H157 Q252
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.81: beta-agarase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033916 beta-agarase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4atf, PDBe:4atf, PDBj:4atf
PDBsum4atf
PubMed22778272
UniProtQ9RGX8|AGAB_ZOBGA Beta-agarase B (Gene Name=agaB)

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